[(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H24N2O6/c1-13(2)19(22-20(24)15-8-10-18(28-4)11-9-15)21(25)29-14(3)16-6-5-7-17(12-16)23(26)27/h5-14,19H,1-4H3,(H,22,24)/t14-,19+/m1/s1